1. Electronic structure and magnetic properties of Fe and Mn co-adsorbed monolayer SnSe2.
- Author
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Xu, Bin, Wang, Zheng, Zhang, Shengqian, Qian, Cheng, Ma, Shanshan, Zhang, Jing, Wang, Yusheng, Zhang, Minglei, and Yi, Lin
- Subjects
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MAGNETIC structure , *MAGNETIC properties , *HEISENBERG model , *TRANSITION metals , *ENERGY bands , *ELECTRONIC structure , *METAL-insulator transitions , *MONOMOLECULAR films - Abstract
• The energy bands of Fe and Mn co-adsorbed monolayers of SnSe 2 exhibit semi-metallicity. • As tensile strain increases, the adsorption system transitions from semi-metallic to metallic, accompanied. • The co-adsorption system's curie temperature is calculated to be 205.2 K. • The application of Fe and Mn double transition metal atoms to monolayer SnSe 2 may have potential. Pure 2D SnSe 2 is not magnetic, which limits its application in spintronics. However, magnetic properties can be induced in pure 2D SnSe 2 by introducing transition metal elements. In this study, we used first-principles calculations based on density-functional theory to predict the electronic structure and magnetic properties of monolayer SnSe 2 under adsorption of Fe and Mn double transition metal atoms. Our findings show that the energy bands of Fe and Mn co-adsorbed monolayers of SnSe 2 exhibit semi-metallicity. As tensile strain increases, the adsorption system transitions from semi-metallic to metallic, accompanied by an increase in total magnetic moment. Based on the Heisenberg model, the co-adsorption system's Curie temperature is calculated to be 205.2 K. Our studies suggest that the application of Fe and Mn double transition metal atoms to monolayer SnSe 2 may have potential in spintronics. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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